tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane

C21H32FN3O3 — CID 169149244

IUPACtert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane
SMILESCC.CCC(CN(C)C(=O)OC(C)(C)C)c1cc2ncc(F)cc2c(OC)n1
InChIInChI=1S/C19H26FN3O3.C2H6/c1-7-12(11-23(5)18(24)26-19(2,3)4)15-9-16-14(17(22-15)25-6)8-13(20)10-21-16;1-2/h8-10,12H,7,11H2,1-6H3;1-2H3
InChIKeyOPVHGJPPZMWOEA-UHFFFAOYSA-N
MW393.50 g/mol
LogP5.16
Rot. Bonds5

About tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane

tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane (PubChem CID 169149244) has the molecular formula C21H32FN3O3 and a molecular weight of 393.50 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane
PubChem CID169149244
Molecular FormulaC21H32FN3O3
Molecular Weight393.50 g/mol
Exact Mass393.24
IUPAC Nametert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane
SMILESCC.CCC(CN(C)C(=O)OC(C)(C)C)c1cc2ncc(F)cc2c(OC)n1
InChIInChI=1S/C19H26FN3O3.C2H6/c1-7-12(11-23(5)18(24)26-19(2,3)4)15-9-16-14(17(22-15)25-6)8-13(20)10-21-16;1-2/h8-10,12H,7,11H2,1-6H3;1-2H3
InChIKeyOPVHGJPPZMWOEA-UHFFFAOYSA-N
XLogP5.16
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.50
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(2,4-difluorophenyl)butyl]-N-methylcarbamate
CID 145296649
tert-butyl N-[(5-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133059742
tert-butyl N-[2-(3,5-difluorophenoxy)ethyl]-N-methylcarbamate
CID 146282121
tert-butyl 2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 67470714
tert-butyl N-[3-[6-(4-fluorophenoxy)-2-formylbenzimidazol-1-yl]pentyl]-N-methylcarbamate
CID 88893075
tert-butyl N-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-(5-iodo-6-methyl-2-pyridinyl)carbamate
CID 58259174
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-[(4-fluorothiophen-2-yl)methyl]-N-methylcarbamate
CID 151880346
tert-butyl N-[(4-fluoro-2-pyridinyl)methyl]-N-methylcarbamate
CID 133063651
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-N-methylcarbamate
CID 59738347

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane?
The IUPAC name of tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane (CID 169149244) is tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane.
What is the SMILES notation for tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane?
The canonical SMILES for tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane is CC.CCC(CN(C)C(=O)OC(C)(C)C)c1cc2ncc(F)cc2c(OC)n1.
What is the InChIKey of tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane?
The InChIKey is OPVHGJPPZMWOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3.C2H6/c1-7-12(11-23(5)18(24)26-19(2,3)4)15-9-16-14(17(22-15)25-6)8-13(20)10-21-16;1-2/h8-10,12H,7,11H2,1-6H3;1-2H3.
What are the key properties of tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane?
tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane has a molecular weight of 393.50 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-fluoro-5-methoxy-1,6-naphthyridin-7-yl)butyl]-N-methylcarbamate;ethane is sourced from PubChem (CID 169149244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).